Geometry & MOs

Info

ID:	7517
PubChem CID:	73205
Reduced:	O3C10H10 (2)
Stoich.:	A3B10C10 (2)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-228.99
Dipole, Da:	5.35
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C

DOS

IR

Vibrations